(E)-but-2-enedioic acid; 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-(1,3-thiazol-2-yloxy)propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-(1,3-thiazol-2-yloxy)propan-2-ol Openeye Name: fumaric acid; 1-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]-3-thiazol-2-yloxy-propan-2-ol CAS Name: (E)-2-butenedioic acid; 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-(2-thiazolyloxy)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-(1,3-thiazol-2-yloxy)propan-2-ol Traditional Name: fumaric acid; 1-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]-3-thiazol-2-yloxy-propan-2-ol Formula: C20H26N2O7S MolecularWeight: 438.49464

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC)NCC(COC2=NC=CS2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC)NCC(COC2=NC=CS2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H22N2O3S.C4H4O4/c1-12(9-13-3-5-15(20-2)6-4-13)18-10-14(19)11-21-16-17-7-8-22-16;5-3(6)1-2-4(7)8/h3-8,12,14,18-19H,9-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+